2,2-difluoro-2-[(2S)-oxolan-2-yl]acetic acid

C6H8F2O3 — CID 99640388

IUPAC2,2-difluoro-2-[(2S)-oxolan-2-yl]acetic acid
SMILESO=C(O)C(F)(F)[C@@H]1CCCO1
InChIInChI=1S/C6H8F2O3/c7-6(8,5(9)10)4-2-1-3-11-4/h4H,1-3H2,(H,9,10)/t4-/m0/s1
InChIKeyXNHRBXIYSXVOGJ-BYPYZUCNSA-N
MW166.12 g/mol
LogP0.89
Rot. Bonds2

About 2,2-difluoro-2-[(2S)-oxolan-2-yl]acetic acid

2,2-difluoro-2-[(2S)-oxolan-2-yl]acetic acid (PubChem CID 99640388) has the molecular formula C6H8F2O3 and a molecular weight of 166.12 g/mol. Its IUPAC name is 2,2-difluoro-2-[(2S)-oxolan-2-yl]acetic acid.

Molecular Properties

Compound Name2,2-difluoro-2-[(2S)-oxolan-2-yl]acetic acid
PubChem CID99640388
Molecular FormulaC6H8F2O3
Molecular Weight166.12 g/mol
Exact Mass166.04
IUPAC Name2,2-difluoro-2-[(2S)-oxolan-2-yl]acetic acid
SMILESO=C(O)C(F)(F)[C@@H]1CCCO1
InChIInChI=1S/C6H8F2O3/c7-6(8,5(9)10)4-2-1-3-11-4/h4H,1-3H2,(H,9,10)/t4-/m0/s1
InChIKeyXNHRBXIYSXVOGJ-BYPYZUCNSA-N
XLogP0.89
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.12
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2-difluoro-2-[(2S)-oxolan-2-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-2-[(2S)-oxolan-2-yl]propanoic acid
CID 129368356
1,1-difluoro-N,N-dimethyl-1-(oxolan-2-yl)methanamine
CID 57486602
3-[difluoro(oxolan-2-yl)methoxy]-1,1,1,3,4,4,4-heptafluorobutan-2-one
CID 59741487
methanediol;2-(oxolan-2-yl)propan-2-yl 2,2,2-trifluoroacetate
CID 156747447
1,1,1,3,3,3-hexafluoro-2-(oxan-2-yl)propan-2-ol
CID 89068349
2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)oxolane
CID 19783535
2,2,4,4-tetramethyl-3-(oxolan-2-yl)pentan-3-ol
CID 551403
1,1,1-trifluoro-3-(oxolan-2-yl)propan-2-one
CID 62963522
[dicyclohexyl(oxolan-2-yl)methyl] prop-2-enoate
CID 58734454
alumane;2-ethoxy-2-methoxy-2-(oxan-2-yl)acetic acid
CID 173211036
oxolane-2-carboxylic acid;silver
CID 160678639
oxan-3-amine;2,2,2-trifluoroacetic acid
CID 78048070

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-[(2S)-oxolan-2-yl]acetic acid?
The IUPAC name of 2,2-difluoro-2-[(2S)-oxolan-2-yl]acetic acid (CID 99640388) is 2,2-difluoro-2-[(2S)-oxolan-2-yl]acetic acid.
What is the SMILES notation for 2,2-difluoro-2-[(2S)-oxolan-2-yl]acetic acid?
The canonical SMILES for 2,2-difluoro-2-[(2S)-oxolan-2-yl]acetic acid is O=C(O)C(F)(F)[C@@H]1CCCO1.
What is the InChIKey of 2,2-difluoro-2-[(2S)-oxolan-2-yl]acetic acid?
The InChIKey is XNHRBXIYSXVOGJ-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H8F2O3/c7-6(8,5(9)10)4-2-1-3-11-4/h4H,1-3H2,(H,9,10)/t4-/m0/s1.
What are the key properties of 2,2-difluoro-2-[(2S)-oxolan-2-yl]acetic acid?
2,2-difluoro-2-[(2S)-oxolan-2-yl]acetic acid has a molecular weight of 166.12 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-[(2S)-oxolan-2-yl]acetic acid is sourced from PubChem (CID 99640388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).